John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7ht46sxXA39 SpectraBase Spectrum ID=2v0EabHLIc9

(accessed ).
IAJOBCOCHZRJMA-CYPSKNEPSA-N
SpectraBase Compound ID 7ht46sxXA39
InChI InChI=1S/C30H47N3O5S/c1-22-10-11-26-27(9-6-15-29(26,2)3)30(22,4)16-12-23(20-38-39(35,36)37)7-5-8-24-13-17-33(28(24)34)18-14-25-19-31-21-32-25/h9,13,19,21-23,26H,5-8,10-12,14-18,20H2,1-4H3,(H,31,32)(H,35,36,37)/t22-,23?,26-,30-/m0/s1
InChIKey IAJOBCOCHZRJMA-CYPSKNEPSA-N
Mol Weight 561.8 g/mol
Molecular Formula C30H47N3O5S
Exact Mass 561.323644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v0EabHLIc9
Name IAJOBCOCHZRJMA-CYPSKNEPSA-N
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H47N3O5S
InChI InChI=1S/C30H47N3O5S/c1-22-10-11-26-27(9-6-15-29(26,2)3)30(22,4)16-12-23(20-38-39(35,36)37)7-5-8-24-13-17-33(28(24)34)18-14-25-19-31-21-32-25/h9,13,19,21-23,26H,5-8,10-12,14-18,20H2,1-4H3,(H,31,32)(H,35,36,37)/t22-,23?,26-,30-/m0/s1
InChIKey IAJOBCOCHZRJMA-CYPSKNEPSA-N
Literature Reference Author G.YAO,T.P.KONDRATYUK,G.T.TAN,J.M.PEZZUTO,L.C.CHANG
Literature Reference Citation J.NAT.PROD.,72,319(2009)
Literature Reference DOI 10.1021/np8005343
Molecular Weight 561.780 g/mol
Sample ID 32237
Solvent CD3OD
SpectraBase Batch ID 67FLGmznyO2